Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | STK10 | O94804 | 1/20 | 0.48 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL996127 | 0.86 | ADRA2C (0.64) | ADRA2CCLK4MAOBGABRG2GABRB3 | |
| SCHEMBL10094705 | 0.84 | ADRA2C (0.48) | ADRA2CARKCNA5KCNH2CLK4 | |
| SCHEMBL31462934 | 0.84 | ENPP1 (0.51) | ADRA2CKCNA5KCNH2CLK4STK10 | |
| SCHEMBL11305092 | 0.83 | CYP2A6 (0.54) | ADRA2CCYP2A6ARMAOBGABRA5 | |
| SCHEMBL3422474 | 0.82 | ADRA2C (0.60) | ADRA2CCLK4MAOBGABRG2GABRB3 | |
| SCHEMBL31272452 | 0.82 | ADRA2C (0.60) | ADRA2CCLK4MAOBGABRG2GABRB3 | |
| SCHEMBL5217572 | 0.81 | CYP2A6 (0.52) | ADRA2CCYP2A6ARPDK2 | |
| SCHEMBL26272700 | 0.81 | ADRA2C (0.48) | ADRA2CCYP2A6KCNA5KCNH2CLK4 | |
| SCHEMBL23624364 | 0.80 | ADRA2C (0.51) | ADRA2CKCNA5KCNH2CLK4STK10 | |
| SCHEMBL10094533 | 0.80 | KCNA5 (0.47) | ADRA2CKCNA5KCNH2CLK4MAOB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108863850-A | Biaryl base class compound and its preparation method and application | 复旦大学 | 2018-11-23 | — | — | CN | disclosed |
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |